3-(Sulfooxy)benzenepropanoic acid

CAS Registry Number®

86321-32-6
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CAS Name

3-(Sulfooxy)benzenepropanoic acid

Molecular Formula

C9H10O6S

Molecular Mass

246.24

Cite this Page

3-(Sulfooxy)benzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86321-32-6 (retrieved 2024-09-07) (CAS RN: 86321-32-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H10O6S/c10-9(11)5-4-7-2-1-3-8(6-7)15-16(12,13)14/h1-3,6H,4-5H2,(H,10,11)(H,12,13,14)

InChIKey

InChIKey=IQWLPDPKVFZEOK-UHFFFAOYSA-N

SMILES

O(S(=O)(=O)O)C1=CC(CCC(O)=O)=CC=C1

Canonical SMILES

O=C(O)CCC=1C=CC=C(OS(=O)(=O)O)C1

Other Names for this Substance

  • Benzenepropanoic acid, 3-(sulfooxy)-
  • 3-(Sulfooxy)benzenepropanoic acid